6-ethoxy-2,3,4,6-tetramethylheptan-2-amine

C13H29NO — CID 91316375

IUPAC6-ethoxy-2,3,4,6-tetramethylheptan-2-amine
SMILESCCOC(C)(C)CC(C)C(C)C(C)(C)N
InChIInChI=1S/C13H29NO/c1-8-15-12(4,5)9-10(2)11(3)13(6,7)14/h10-11H,8-9,14H2,1-7H3
InChIKeyDSKOEXSPOCNWRB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.20
Rot. Bonds6

About 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine

6-ethoxy-2,3,4,6-tetramethylheptan-2-amine (PubChem CID 91316375) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine.

Molecular Properties

Compound Name6-ethoxy-2,3,4,6-tetramethylheptan-2-amine
PubChem CID91316375
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name6-ethoxy-2,3,4,6-tetramethylheptan-2-amine
SMILESCCOC(C)(C)CC(C)C(C)C(C)(C)N
InChIInChI=1S/C13H29NO/c1-8-15-12(4,5)9-10(2)11(3)13(6,7)14/h10-11H,8-9,14H2,1-7H3
InChIKeyDSKOEXSPOCNWRB-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine?
The IUPAC name of 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine (CID 91316375) is 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine.
What is the SMILES notation for 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine?
The canonical SMILES for 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine is CCOC(C)(C)CC(C)C(C)C(C)(C)N.
What is the InChIKey of 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine?
The InChIKey is DSKOEXSPOCNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-8-15-12(4,5)9-10(2)11(3)13(6,7)14/h10-11H,8-9,14H2,1-7H3.
What are the key properties of 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine?
6-ethoxy-2,3,4,6-tetramethylheptan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,3,4,6-tetramethylheptan-2-amine is sourced from PubChem (CID 91316375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).